4-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]benzonitrile
Formula:C14H9N3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
4-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]benzonitrile is not a drug-like molecule.
| MolName | 4-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]benzonitrile |
| MolecularFormula | C14H9N3Cl2 |
| Smiles | N#Cc1ccc(/C=N\Nc(cc2)cc(Cl)c2Cl)cc1 |
| InChI | InChI=1S/C14H9Cl2N3/c15-13-6-5-12(7-14(13)16)19-18-9-11-3-1-10(8-17)2-4-11/h1-7,9,19H |
| InChIK | YAXVNYZKQQVNEC-UHFFFAOYSA-N |
| TotalMolweight | 290.152 |
| Molweight | 290.152 |
| MonoisotopicMass | 289.017351 |
| CLogP | 5.8885 |
| CLogS | -5.394 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 221.79 |
| Relative PSA | 0.16471 |
| PolarSurfaceArea | 48.18 |
| Druglikeness | -1.8955 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]benzonitrile | 2 - 4-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]benzonitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off